[ CAS No. 298694-30-1 ] {[proInfo.proName]}

Name: 298694-30-1|4-Bromo-2-methylthiazole|95%
Brand: Ambeed
SKU: A847416
Rating: 90 (40 reviews)

,{[proInfo.pro_purity]}

Cat. No.: {[proInfo.prAm]}

DV 2D 3D

3d Animation Molecule Structure of 298694-30-1

Structure of 298694-30-1 * Storage: {[proInfo.prStorage]}

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

For Research Only 110K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 298694-30-1 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 298694-30-1 ]

SDS Specification

Alternatived Products of [ 298694-30-1 ]

Product Details of [ 298694-30-1 ]

CAS No. :	298694-30-1	MDL No. :	MFCD06409945
Formula :	C₄H₄BrNS	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	LYRXILTUZBBMNS-UHFFFAOYSA-N
M.W :	178.05	Pubchem ID :	2763186
Synonyms :

Calculated chemistry of [ 298694-30-1 ]

Physicochemical Properties

Num. heavy atoms :	7
Num. arom. heavy atoms :	5
Fraction Csp3 :	0.25
Num. rotatable bonds :	0
Num. H-bond acceptors :	1.0
Num. H-bond donors :	0.0
Molar Refractivity :	34.78
TPSA :	41.13 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.7 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.0
Log Po/w (XLOGP3) :	2.38
Log Po/w (WLOGP) :	2.21
Log Po/w (MLOGP) :	0.92
Log Po/w (SILICOS-IT) :	3.3
Consensus Log Po/w :	2.16

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.97
Solubility :	0.19 mg/ml ; 0.00107 mol/l
Class :	Soluble
Log S (Ali) :	-2.88
Solubility :	0.232 mg/ml ; 0.0013 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.53
Solubility :	0.524 mg/ml ; 0.00294 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.53

Safety of [ 298694-30-1 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 298694-30-1 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Upstream synthesis route of [ 298694-30-1 ]
Downstream synthetic route of [ 298694-30-1 ]

[ 298694-30-1 ] Synthesis Path-Upstream 1~3

1
[ 616-42-2 ]
[ 298694-30-1 ]

Yield	Reaction Conditions	Operation in experiment
55%	Stage #1: With n-butyllithium In tetrahydrofuran; hexanes at -78℃; for 1 h; Stage #2: at -78 - 20℃;	Example 52; 4-Bromo-2-methyl-thiazole (142); 2,4-Dibromothiazole (2.4 g, 9.8 mmol) was dissolved in abs. THF (50 ml) and the resulting solution was stirred under argon at -78 °C. A solution of BuLi (4.2 ml, 6 mmol, 2.5 M in hexanes) was added and the stirring was continued for Ih whereafter a solution of dimethylsulfate (2.7 ml) in THF (5 ml) was added dropwise. After stirring for 4h at -78 °C, the reaction mixture was warmed to room temperature and stirred EPO <DP n="124"/>overnight. The reaction mixture was diluted with saturated aqueous sodium bicarbonate (50 ml). The aqueous layer was extracted into diethyl ether and the combined organic extracts were washed with brine dried with magnesium sulfate and concentrated by rotary evaporation. Purification by column chromatography on silica gel gave the title compound as yellow oil (0.956 g, 55percent).

Reference： [1] Patent: WO2007/14922, 2007, A1, . Location in patent: Page/Page column 121-122

2
[ 4175-77-3 ]
[ 77-78-1 ]
[ 298694-30-1 ]

Reference： [1] Russian Journal of Organic Chemistry, 2010, vol. 46, # 11, p. 1702 - 1708
[2] European Journal of Organic Chemistry, 2003, # 6, p. 1042 - 1049
[3] Organic and Biomolecular Chemistry, 2018, vol. 16, # 9, p. 1465 - 1479
[4] MedChemComm, 2013, vol. 4, # 3, p. 520 - 526

3
[ 333-27-7 ]
[ 298694-30-1 ]

Reference： [1] Patent: WO2003/87104, 2003, A1, . Location in patent: Page/Page column 14; 15

[ 298694-30-1 ] Synthesis Path-Downstream 1~34

1
[ 4175-77-3 ]
[ 77-78-1 ]
[ 298694-30-1 ]

Reference： [1]Russian Journal of Organic Chemistry,2010,vol. 46,p. 1702 - 1708
[2]European Journal of Organic Chemistry,2003,p. 1042 - 1049
[3]Organic and Biomolecular Chemistry,2018,vol. 16,p. 1465 - 1479
[4]MedChemComm,2013,vol. 4,p. 520 - 526

2
[ 116119-83-6 ]
[ 298694-30-1 ]
[ 460053-26-3 ]

Reference： [1]European Journal of Organic Chemistry,2003,p. 1042 - 1049

3
[ 16520-62-0 ]
[ 298694-30-1 ]
2-methyl-(4-(phenyl)but-1-ynyl)thiazole [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
23%	With triethylamine;bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; at 0 - 20℃; for 72h;Heating / reflux;	Example 1; 2-Meth T 1-(4-(4-phenyl)but-1-ynyl)thiazole; To a solution of CuI (45 mg, 24 mumol) in triethylamine (3 mL) were added 4-bromo- 2-methylthiazole (85 mg, 0.48 mmol) and (PPh3) 2PdCl2 (17 mg, 24 mumol). The reaction mixture was cooled to 0C and 1-(but-3-ynyl)benzene (67 mul, 0.48 mmol) was added. The reaction mixture was allowed to warm to room temperature and then heated under reflux for 3 days. Triethylamine was evaporated, water was added and the aqueous phase was extracted twice with DCM. The organic phase was washed with NH40H solution, dried over Na2S04, filtered and concentrated. The crude residue was purified by flash chromatography (cyclohexane/AcOEt 9: 1) to yield 25 mg (0.1 mmol, 23%) of 2-methyl-(4-(4-phenyl)but-l-ynyl)thiazole as a yellow oil. LCMS (RT) : 4.87min; MS (ES+) gave m/z : 229.2.

Reference： [1]Patent: WO2005/123703,2005,A2 .Location in patent: Page/Page column 87

4
[ 333-27-7 ]
[ 298694-30-1 ]

Yield	Reaction Conditions	Operation in experiment
		n-Butyllithium (1. 6M, 3.3 mL, 5.35 mmol) was added to a solution of 2, 4-dibromothiazole (1. 0 g, 4.12 mmol) in anhydrous ether (10 mL) stirred at-78 C under nitrogen. After 20 minutes, methyl trifluromethanesulfonate (878 mg, 5.35 mmol) was added, then the reaction mixture was allowed to warm to room temperature, and stirred for another 1 h. The mixture was quenched and washed with water, washed with brine, dried through MgS04, and then the solvent was evaporated to give a brown oily residue of 2-methyl-4-bromo-thiazole (900 mg). Under nitrogen, the 2-methyl-4-bromo-thiazole (430 mg, 2.42 mmol) dissolved in anhydrous ether (5 mL) then cooled to-78 C under nitrogen. n-Butyllithium (1. 6M, 1.7 mL, 2.66 mmol) was added, followed, after 10 min by triethylstannyl bromide (760 mg, 2.66 mmol). The solution was then warmed to room temperature, and stirred for another 1 h. The mixture was quenched, and washed with IN sodium hydroxide, dried through MgS04, and then the solvent was evaporated to give the sub-title compound give as a brown oily residue (655 mg), which was used without further purification in the next step.

Reference： [1]Patent: WO2003/87104,2003,A1 .Location in patent: Page/Page column 14; 15

5
[ 616-42-2 ]
[ 298694-30-1 ]

Yield	Reaction Conditions	Operation in experiment
55%		Example 52; 4-Bromo-2-methyl-thiazole (142); 2,4-Dibromothiazole (2.4 g, 9.8 mmol) was dissolved in abs. THF (50 ml) and the resulting solution was stirred under argon at -78 C. A solution of BuLi (4.2 ml, 6 mmol, 2.5 M in hexanes) was added and the stirring was continued for Ih whereafter a solution of dimethylsulfate (2.7 ml) in THF (5 ml) was added dropwise. After stirring for 4h at -78 C, the reaction mixture was warmed to room temperature and stirred EPO <DP n="124"/>overnight. The reaction mixture was diluted with saturated aqueous sodium bicarbonate (50 ml). The aqueous layer was extracted into diethyl ether and the combined organic extracts were washed with brine dried with magnesium sulfate and concentrated by rotary evaporation. Purification by column chromatography on silica gel gave the title compound as yellow oil (0.956 g, 55%).

Reference： [1]Patent: WO2007/14922,2007,A1 .Location in patent: Page/Page column 121-122

6
[ 1036991-13-5 ]
[ 298694-30-1 ]
[ 1036988-73-4 ]

Yield	Reaction Conditions	Operation in experiment
	With potassium phosphate;(1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In 1,4-dioxane; water; at 80℃; for 4h;	Procedure E3d - 143-f7-(2-Methyl-thiazol-4-yl)-imidazo? .2-alpyridin-3-yll-phenyl>-3-(2.2,2- trifluoro-ethvl)-urea; To a stirred mixture of 1-[3-(7-Boronic acid -imidazo[1 ,2-a]pyridn-3-yl)-phenyl]-3-(2,2,2- trifluoro-ethyl)-urea (200mg, 0.26mmol), 4-bromo-2-methyl thiazole (61 mg, 0.34mmol) and <n="116"/>K3PO 4 (168mg, 0.79mmol) in dioxane (4ml) and water (1ml) [ reaction degassed by bubbling N2 through] was added PdCI2dppf (19mg, 0.3mmol). The reaction mixture was then heated at 80 0C for 4h. The mixture was allowed to cool, then partitioned between EtOAc /H2O, the organic layer was separated, dried (MgSO4), filtered and the solvent removed in vacuo. The residue was purified by prep HPLC to afford the desired product (26mg). MS: [M+H]+ = 432.

Reference： [1]Patent: WO2008/78091,2008,A1 .Location in patent: Page/Page column 114-115; 342

7
[ 89641-18-9 ]
[ 298694-30-1 ]
[ 1138450-46-0 ]

Yield	Reaction Conditions	Operation in experiment
		4-bromo-2-methyl-1 ,3-thiazole (commercially available from Frontier, 300mg, 1.685 mmol) was dissolved in 1 ,2-Dimethoxyethane (DME) (5 ml). Pd(Ph3)4 (97 mg, 0.084 mmol) was added and the reaction mixture was stirred at room temperature for 15 min. [2,4- bis(methyloxy)-5-pyrimidinyl]boronic acid (commercially available from Aldrich , 651 mg, 3.54 mmol) and 1 M/H2O sol. of NaHCO3 (4.60 ml, 4.60 mmol) were added thereto. The reaction mixture was heated at 900C for 2.5 h and left at room temperature overnight. The mixture was then diluted with dichloromethane (20 ml) and washed with water (20 ml). The organic layer was separated through an hydrophobic frit and concentrated. The obtained crude was purified by flash chromatography eluting with Cyclohexane/AcOEt 8/2. 290 mg of the title compound were isolated as a white solid. MS (ES) (mlz): 238.1 [M+H]+, 260.1 [M+Na]+

Reference： [1]Patent: WO2009/43883,2009,A1 .Location in patent: Page/Page column 51

8
[ 1156508-46-1 ]
[ 298694-30-1 ]
[ 1156508-47-2 ]

Reference： [1]Tetrahedron,2009,vol. 65,p. 3518 - 3524

9
[ 1156508-97-2 ]
[ 298694-30-1 ]
(R)-2-((2-methylthiazol-4-yl)methyl)hexa-1,5-dien-3-yl acetate [ No CAS ]

Reference： [1]Tetrahedron,2009,vol. 65,p. 3518 - 3524

10
[ 1233526-69-6 ]
[ 298694-30-1 ]
[ 1233526-61-8 ]

Yield	Reaction Conditions	Operation in experiment
	With potassium carbonate;dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; In 1,4-dioxane; at 120℃; for 3h;Inert atmosphere;	Step 2: 4-[3-methyl-7-(2-methyl-lJ-thiazol-4-yl)'3J-dihydroisoquinoHn-2(lH)'yl]-6-(4-methylpipera?in' l-yl)pyrimidin-2-amine; A mixture of 4-(4-methylpiperazin-l-yl)-6-[3-methyl-7-(4,4,5,5-tetramethyl-l, 3,2 -dioxaborolan- 2-yl)-3,4-dihydroisoqupsiloninolin-2(l H)-yl]pyrimidin-2-amine (0.0464 g, 0.100 mmol), 4-bromo-2-methyl- 1,3-thiazole (0.0231 g, 0.130 mmol, Frontier, Cat. No. B4559) in 1,4-dioxane (1.0 mL) was stirred at r.t. for 10 min. Potassium carbonate (63.0 mg, 0.456 mmol) in water (0.50 mL) was added to give a deep red solution. The mixture was degassed and refilled with nitrogen three times. [U'- Bis(diphenylphosphino)ferrocene]dichloropalladium(II) complex with dichloromethane ( 1 : 1 ) (5.0 mg, 0.0061 mmol) was added and the mixture was degassed and refilled with nitrogen three times and then heated at 120 0C )(oil bath temperature) for 3 h. After cooling, the mixture was diluted with methanol, and filtered. The filtrate was purified on RP-HPLC (pH = 10) to afford the desired product. LCMS (M+H)+: m/z = 436.1.

Reference： [1]Patent: WO2010/75270,2010,A1 .Location in patent: Page/Page column 173-174

11
[ 1224432-90-9 ]
[ 298694-30-1 ]
[ 1239586-80-1 ]

Reference： [1]MedChemComm,2013,vol. 4,p. 520 - 526
[2]Bioorganic and Medicinal Chemistry,2010,vol. 18,p. 6044 - 6054

12
[ 1263941-22-5 ]
[ 298694-30-1 ]
[ 1263941-26-9 ]

Reference： [1]Russian Journal of Organic Chemistry,2010,vol. 46,p. 1702 - 1708

13
[ 1353777-77-1 ]
[ 298694-30-1 ]
[ 1353777-78-2 ]

Reference： [1]Russian Journal of Organic Chemistry,2011,vol. 47,p. 1653 - 1674

14
[ 57134-53-9 ]
[ 298694-30-1 ]
4-(1,3-benzodioxol-5-ylethynyl)-2-methyl-1,3-thiazole [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
97%	With tetrakis(triphenylphosphine) palladium(0); triethylamine; In acetonitrile; for 4h;Reflux;	General procedure: To a solution of 1 (1.79 g, 12.2 mmol) and 2b (2.50 g, 11.1 mmol) in CH3CN (50 mL) were added Pd(PPh3)4 (642 mg, 0.556 mmol) and NEt3 (25 mL). The reaction mixture was stirred at reflux temperature for 4 h. The reaction mixture was filtered through Celite and the filtrate was evaporated. The crude product was purified by column chromatography on silica gel eluting with 40-50% CHCl3/n-Hexane and then 8% EtOAc/n-Hexane to afford 3b as a yellow powder (2.38 g, 88%): mp 111.5-112.0 oC; 1H NMR (300 MHz, CDCl3, delta): 2.48 (d, J = 0.9 Hz, 3 H), 6.01 (s, 2 H), 6.80 (d, J = 8.1 Hz, 1 H), 6.90 (d, J = 0.9 Hz, 1 H), 7.01 (d, J = 1.6 Hz, 1 H), 7.13 (dd, J = 8.1, 1.6 Hz, 1 H); MS (ESI) m/z 244 [M+H]+, 100%

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2012,vol. 22,p. 2024 - 2029

15
[ 1066-54-2 ]
[ 298694-30-1 ]
[ 329203-85-2 ]

Yield	Reaction Conditions	Operation in experiment
70%	With triethylamine;bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; at 20℃; for 72h;Inert atmosphere;	Intermediate 292-Methyl-4-((trimethylsilyl)ethynyl)thiazole. A flask was charged with 4- bromo-2-methylthiazole (400 mg, 2.247 mmol) and triethylamine (8 mL) and sparged with nitrogen for 15 min. To this was added ethynyltrimethylsilane (0.381 mL, 2.70 mmol) and purged 15 min longer. To this was added copper(I) iodide (21.39 mg, 0.112 mmol), and Pd(PPh3)2Cl2 (79 mg, 0.112 mmol). The reaction stirred at room temperature for 72 h. The reaction was diluted with ethyl acetate (16 mL) and poured into water. The black heterogeneous emulsion was filtered through a plug of celite and the layers separated. The organics were washed with brine, dried over magnesium sulfate, and concentrated. Column chromatography (5%- > 6% EtO Ac/Hex) gave 307 mg (70%) as a light amber oil. ¾-NMR (CDC13> 500 MHz) delta 7.34 (s, 1H), 2.72 (s, 3H), 0.27 (s, 9H). 13C-NMR (CDC13, 126 MHz) delta 165.6, 137.0, 123.0, 98.4, 94.6, 19.3, -0.1.

Reference： [1]Patent: WO2012/64603,2012,A1 .Location in patent: Page/Page column 63

16
[ 123324-71-0 ]
[ 298694-30-1 ]
C₁₄H₁₇NS [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
65%	With tetrakis(triphenylphosphine) palladium(0); potassium carbonate; In 1,4-dioxane; water; at 100℃; for 3h;Inert atmosphere;	A 50-rnL round bottom flask equipped with a magnetic stirrer, a condenser and a nitrogen in/outlet adapter was charged with 4-chioropicolinaldehyde (1.15 g, 8.10 mmol), 4-tert-butylphenylboronic acid (1.93 g, 9.70 mmol), water/dioxane (10 mL/30 ml), K2C03 (2.23 g, 16.2 mmol). The resulting solution was degassed for 5 minutes, then Pd(PPh3)4 (180 mg, 0.162 mmol) was added. The reaction mixture was warmed to 100 C and stirred for 3 hours. After being allowed to cool to room temperature, the reaction mixture was diluted with EtOAc (100 mL) and washed with saturated NaHCO3 (30 mL), brine (30 mL), dried over Na2SO4. The organic layer was concentrated under reduced pressure and purified on silica gel. Eluticn with EtOAc/hexanes solvent system afforded the title compound (1.59 g, 82% yield). ?H NMR (300 MHz, CDC13) oe 10.15 (s, 1H), 8.81 (d, J= 6.0 Hz, 1H), 8.21 (d, J 3.0 Hz, 1H), 7.74 (cld, J 6.0, 3.0 Hz, 1H), 7.65 (m, 2H), 7.54 (m, 2H), 1.37 (s, 9H). ?3C NMR (75 MHz, CDC13) 3 193.8,153.8, 153.4, 150.8, 149.7, 134.2, 126.9, 126.5, 125.5, 119.5, 35.0, 31.4.

Reference： [1]Patent: WO2013/106761,2013,A2 .Location in patent: Page/Page column 49; 50

17
[ 1616828-84-2 ]
[ 298694-30-1 ]
[ 1616830-03-5 ]

Yield	Reaction Conditions	Operation in experiment
14%	With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate; In N,N-dimethyl-formamide; at 80 - 100℃;Sealed tube;	a) 6- (2-Methylthiazol-4-yl)- 8- ((2- (trimethylsilyl)ethoxy)methoxy)-3- ((2-(trimethylsilyl)ethoxy)methyl)guinazolin-4(3H)-oneA suspension of <strong>[298694-30-1]4-bromo-2-methyl-thiazole</strong> (0.02 g, 0.1 mmol), (6-(4,4,5,5-tetramethyl-1,3,2- dioxaborolan-2-yl)-8- ((2- (trimethylsilyl)ethoxy)methoxy)-3-((2- (trimethylsilyl)ethoxy)methyl)quinazolin-4(3H)-one (0.05 g, 0.08 mmol, example 28), bis (diphenylphosphino)feffocene-palladium(II)dichloride (0.01 g, 0.01 mmol), potassiumcarbonate (0.03 g, 0.25 mmol) and water (0.2 ml) in dimethylformamide (1 ml) was stirred in a sealed tube at 100 C for 2 hours and then at 80 C overnight. Filtration and chromatography (C18 reverse phase HPLC, methanol / water = 40:60 to 100:0) yielded the title compound as white solid (0.006 g, 14 %). MS: mle = 520.7 [M+Hf?.

Reference： [1]Patent: WO2014/102233,2014,A1 .Location in patent: Page/Page column 112

18
4-(8-(3-(tert-butoxycarbonylamino)propyl)-2-(methylthio)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl)-3-chlorophenylboronic acid [ No CAS ]
[ 298694-30-1 ]
tert-butyl-3-(6-(2-chloro-4-(2-methylthiazol-4-yl)phenyl)-2-(methylthio)-7-oxopyrido[2,3-d]pyrimidin-8(7H)-yl)propylcarbamate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
137 mg	With tetrakis(triphenylphosphine) palladium(0); sodium carbonate; In water; acetonitrile; at 90℃;Inert atmosphere;	step 2: A mixture of 4-(8-(3-(tert-butoxycarbonylamino)propyl)-2-(methylthio)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl)-3-chlorophenylboronic acid (688 mg, crude), <strong>[298694-30-1]4-bromo-2-methylthiazole</strong> (254 mg, 1.4 mmol), Pd(PPh3)4 (71 mg, 0.061 mmol) and Na2CO3 (0.5 M in water, 4 mL) in MeCN (4 mL) was stirred at 90 C. under N2 overnight. After cooling to RT, the reaction mixture was diluted with EtOAc (200 mL) and washed with aq. NaCl solution (100 mL). The organic layer was dried (MgSO4) and concentrated under reduced pressure. The residue was purified by SiO2 chromatography eluting with a PE/DCM/EtOAc gradient (3:3:2 to 1:1:2) to afford tert-butyl 3-(6-(2-chloro-4-(2-methylthiazol-4-yl)phenyl)-2-(methylthio)-7-oxopyrido[2,3-d]pyrimidin-8(7H)-yl)propylcarbamate as yellow oil (137 mg, 63% from two steps). LCMS (ESI): m/z=503.1 [M-55]+.

Reference： [1]Patent: US2015/31674,2015,A1 .Location in patent: Paragraph 0531

19
C₃₀H₃₈BClN₄O₆S [ No CAS ]
[ 298694-30-1 ]
(S)-tert-butyl-2-((6-(2-chloro-4-(2-methylthiazol-4-yl)phenyl)-2-(methylthio)-7-oxopyrido[2,3-d]pyrimidin-8(7H)-yl)methyl)morpholine-4-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium phosphate; sodium acetate; In water; acetonitrile; at 100℃; for 2h;	(S)-tert-butyl 2-((6-(4-bromo-2-chlorophenyl)-2-(methylthio)-7-oxopyrido[2,3-d]pyrimidin-8(7H)-yl)methyl)morpholine-4-carboxylate was borylated (bis(pinacolato)diboron, Pd(dppf)Cl2, KOAc, dioxane, 80 C., 2 h) and the resulting dioxaborolane coupled with <strong>[298694-30-1]4-bromo-2-methylthiazole</strong> (Pd(dppf)Cl2, K3PO4, NaOAc, MeCN, H2O, 100 C., 2 h) to afford (S)-tert-butyl 2-((6-(2-chloro-4-(2-methylthiazol-4-yl)phenyl)-2-(methylthio)-7-oxopyrido[2,3-d]pyrimidin-8(7H)-yl)methyl)morpholine-4-carboxylate. Introduction of the methylamine and removal of the Boc group were accomplished by standard protocols. 1H NMR (400 MHz, CDCl3) delta 8.45 (s, 1H), 8.00 (d, J=1.6 Hz, 1H), 7.78 (dd, J=1.6, 7.6 Hz, 1H), 7.58 (s, 1H), 7.41 (d, J=7.6 Hz, 1H), 7.36 (s, 1H), 5.52-5.50 (m, 1H), 4.61-4.52 (m, 2H), 4.00-3.91 (m, 2H), 3.60-3.55 (m, 1H), 3.11 (d, J=4.8 Hz, 3H), 2.93-2.87 (m, 2H), 2.82-2.80 (m, 2H), 2.78 (s, 3H); MS [M+H]+=483.0

Reference： [1]Patent: US2015/31674,2015,A1 .Location in patent: Paragraph 0593

20
[ 849934-95-8 ]
[ 298694-30-1 ]
methyl-2-(2-chloro-4-(2-methylthiazol-4-yl)phenyl)acetate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate; at 100℃;	Methyl 2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzeneacetate [CASRN 849934-95-8] was coupled with <strong>[298694-30-1]4-bromo-2-methyl-thiazole</strong> (Pd(dppf)Cl2 K2CO3, 100 C.) to afford methyl 2-(2-chloro-4-(2-methylthiazol-4-yl)phenyl)acetate which was cyclized with 4-amino-2-(methylthio)pyrimidine-5-carbaldehyde to afford 6-(2-chloro-4-(2-methylthiazol-4-yl)phenyl)-2-(methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one. Alkylation of the lactam nitrogen with 2-(2-(bromomethyl)-1,3-dioxan-5-yl)isoindoline-1,3-dione afforded 2-((2r,5r)-2-((6-(2-chloro-4-(2-methylthiazol-4-yl)phenyl)-2-(methylthio)-7-oxopyrido[2,3-d]pyrimidin-8(7H)-yl)methyl)-1,3-dioxan-5-yl)isoindoline-1,3-dione. Introduction of the methylamine and removal of the phthalimide group were accomplished by standard protocols. 1H NMR (400 MHz, DMSO-d6) delta 8.63 (s, 1H), 8.13 (s, 1H), 8.08 (d, J=2.0 Hz, 1H), 7.95 (dd, J=1.6, 8.0 Hz, 1H), 7.83 (s, 1H), 7.45 (d, J=8.0 Hz, 1H), 4.99-4.90 (m, 1H), 4.47-4.42 (m, 2H), 3.93-3.89 (m, 2H), 3.31 (s, 3H), 3.11 (t, J=2.8 Hz, 2H), 2.91 (d, J=4.8 Hz, 3H), 2.81-2.76 (m, 1H), 2.74 (s, 3H); MS [M+H]+=499.1

Reference： [1]Patent: US2015/31674,2015,A1 .Location in patent: Paragraph 0603

21
[ 1609393-90-9 ]
[ 298694-30-1 ]
2-methoxy-3-(2-methylthiazol-4-yl)aniline [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
75%	With dipotassium hydrogenphosphate; dichloro[1,1'-bis(di-t-butylphosphino)ferrocene]palladium(II); In 1,4-dioxane; water; at 100℃; for 1h;Inert atmosphere;	Step 4 A stirred mixture of <strong>[298694-30-1]4-bromo-2-methylthiazole</strong> (128 mg, 0.719 mmol), 2- methoxy-3-(4,4,5,5-tetramethyl-l,3,2-dioxaborolan-2-yl)aniline from Step 3 (197 mg, 0.791 mmol) and l, -bis(di-tert-butylphosphino)ferrocene palladium dichloride (14.06 mg, 0.022 mmol) in dioxane (4 mL) was degassed by bubbling nitrogen through the mixture for 5 minutes. 2M sq potassium phosphate dibasic solution (1.078 mL, 2.157 mmol) was quickly added and the reaction mixture heated at 100 C for one hour. LC-MS showed complete conversion to the desired product mass. The reaction mixture was cooled to room temperature, then diluted with EtOAc (75mL). This solution was then dried over sodium sulfate, filtered, concentrated and purified by flash chromatography, eluting with 0-100% EtOAc in hexanes. Afforded 2-methoxy-3-(2-methylthiazol-4- yl)aniline (Preparation 12, 122 mg, 0.543 mmol, 75% yield) as a yellow oil. LCMS MH+ 221.1.
75%		By bubbling nitrogen through <strong>[298694-30-1]4-bromo-2-methylthiazole</strong> (128 mg, 0.719 mmol)2-methoxy-3- (4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) aniline from Step 3 (197 mg, 0.791 mmol )And 1,1'-bis (di-t-butylphosphino)Ferrocene palladium dichloride (14.06 mg, 0.022 mmol)Stored in dioxane (4 mL)The mixture was stirred for 5 minutes and the mixture was degassed.Quickly add 2MDipotassium phosphateAqueous solution(1.078 mL, 2.157 mmol) and the reaction mixture was heated at 100 & lt; 0 & gt; C for 1 hour.LC-MS showed complete conversion to the desired product. The reaction mixture was cooled to room temperature and then diluted with EtOAc (75 mL). The solution was then dried over sodium sulfate, filtered, concentrated and purified by flash chromatography eluting with 0 to 100% EtOAc in hexanes. A solution of 2-methoxy-3- (2-methylthiazol-4-yl) aniline (prepared 12,122 mg, 0.543 mmol, 75% yield) as a yellow oil.

Reference： [1]Patent: WO2015/69310,2015,A1 .Location in patent: Paragraph 00187
[2]Patent: TWI582077,2017,B .Location in patent: Page/Page column 88; 89

22
1-(5-ethynylpyridin-2-yl)-1H-pyrrolo[2,3-c]pyridine [ No CAS ]
[ 298694-30-1 ]
[ 935686-20-7 ]

Yield	Reaction Conditions	Operation in experiment
78%	With copper(l) iodide; tetrakis(triphenylphosphine) palladium(0); triethylamine; at 50℃; for 16h;Inert atmosphere;	To a solution of l-(5-ethynylpyridin-2-yl)-lH-pyrrolo[2,3-c]pyridine (141 mg, 0.64 mmol) in triethylamine (10 mL) were added <strong>[298694-30-1]4-bromo-2-methylthiazole</strong> (178 mg, 1 mmol), copper(I) iodide (48 mg, 0.26 mmol) and tetrakis(triphenylphosphine)palladium(0) (49 mg, 0.043 mmol). The resulting mixture was stirred for 16 hours at 50 C under nitrogen atmosphere. After cooling down to ambient temperature, the resulting mixture was concentrated under reduced pressure. The residue was purified by silica gel column chromatography, eluted with 1-3% methanol in dichloromethane to afford l-(5-(2-(2-methylthiazol-4-yl)ethynyl)pyridin-2-yl)-lH-pyrrolo[2,3- c]pyridine as a colorless solid: MS (ESI, m/z): 317.0 [M + 1]+; 1H NMR (400 MHz, CD3OD) delta 9.88 (br s, 1H), 8.79 (d, J= 1.6 Hz, 1H), 8.34-8.33 (m, 2H), 8.15-8.12 (m, 1H), 7.85-7.82 (m, 2H), 7.77 (s, 1H), 6.96 (d, J= 3.2 Hz, 1H), 2.76 (s, 3H).

Reference： [1]Patent: WO2015/188368,2015,A1 .Location in patent: Page/Page column 38

23
1-(6-(1H-indazol-6-yl)pyridin-2-yl)ethanone [ No CAS ]
[ 298694-30-1 ]
1-(6-(1-(2-methylthiazol-4-yl)-1H-indazol-6-yl)pyridin-2-yl)ethanone [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
45%	With potassium phosphate; copper(l) iodide; trans-N,N'-dimethylcyclohexane-1,2-diamine; In toluene; at 110℃; for 16h;	A mixture of 47-SM04 (237 mg, 1.0 mmol), 298694-30-1 (248 mg, 1.4 mmol, 1.4 eq), K3PO4 (424 mg, 2.0 mmol, 2.0 eq) and iraws-N^'-Dimethylcyclohexane- 1,2-diamine (28 mg, 0.2 mmol, 0.2 eq) in toluene (5 mL) was stirred at 110 C for 16 h under N2. After concentration, the residue was purified by column chromatography on silica gel (PE/EA = 3/1) to give l-(6-(l-(2-methylthiazol-4-yl)-lH-indazol-6-yl)pyridin-2- yl)ethanone as a white solid. 150 mg, Y: 45%. ESI-MS (M+H)+: 335.1.

Reference： [1]Patent: WO2016/11390,2016,A1 .Location in patent: Page/Page column 219

24
(R)-4-((R)-1-((1-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[d]imidazol-7-yl)oxy)ethyl)pyrrolidin-2-one [ No CAS ]
[ 298694-30-1 ]
(R)-4-((R)-1-((1-cyclopropyl-5-(2-methylthiazol-4-yl)-1H-benzo[d]imidazol-7-yl)oxy)ethyl)pyrrolidin-2-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
9 mg	With tetrakis(triphenylphosphine) palladium(0); sodium carbonate; In 1,2-dimethoxyethane; water; at 100℃; for 2h;Sealed tube; Inert atmosphere; Microwave irradiation;	To a microwave tube equipped with a stifling bar, (R)-4-((R)-1-((1-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[d]imidazol-7-yl)oxy)ethyl)pyrrolidin-2-one (120 mg, 0.292 mmol), <strong>[298694-30-1]4-bromo-2-methylthiazole</strong> (103.9 mg, 0.584 mmol), 1,2-dimethoxyethane (3 mL), 1 N Na2CO3 aqueous solution (0.96 mL, 0.96 mmol) were added, the mixture was bubbled N2 for 5 minutes before Pd(PPh3)4 (33.7 mg, 0.029 mmol) was added. The tube was sealed and heated in an oil bath at 100 C. for 2 hrs. DCM (200 mL) was added and the resulting mixture was washed with saturated NaHCO3 aqueous solution (20 mL×4), brine (20 mL×1), dried over anhydrous Na2SO4, filtered, removed solvents in vacuo. The resulting residue was passed a ISCO silica gel column (MeOH:DCM=5:95) to give white solids, 9.0 mg.

Reference： [1]Patent: KR2016/37198,2016,A .Location in patent: Paragraph 2061-2063

25
[ 298694-30-1 ]
4-bromo-2-methyl-5-nitrothiazole [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
28 g	With sulfuric acid; nitric acid; at 0 - 20℃; for 3h;	To a stirred solution of <strong>[298694-30-1]4-bromo-2-methylthiazole</strong> (40.0 g, 168.8 mmol) in cone. H2S04 (400 nil) was added cone. HNO3 (100 nil) slowly at 0 C and then stirred at RT for 3 h. The reaction mixture was poured in ice cold water and extracted with EtOAc. The organic layerwas dried and evaporated and the residue purified by flash chromatography yielding 28 g 4- bromo-2-methyl-5 -nitrothiazole. m/z = 223.0 (M+ 1 ).

Reference： [1]Patent: WO2016/193551,2016,A1 .Location in patent: Page/Page column 62

26
tert-butyl 1-ethynyl-3-azabicyclo[3.1.0]hexane-3-carboxylate [ No CAS ]
[ 298694-30-1 ]
C₁₆H₂₀N₂O₂S [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
62%	With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; triphenylphosphine; In tetrahydrofuran; at 35 - 40℃; for 16h;Inert atmosphere;	A mixture of I (1.OOg, 4.82mmoI), 57 (944mg, 53OmmoI), CuT (91.8mg, 482irno1), PPh3 (126mg, 482tmoi) and Pd(PPh3)2C12 (169mg, 24lpinol) in THF (lOmL) and TEA (iOrnL) wasdegassed and purged with N2 for 3 times, and then the mixture was stirred at 3540C for I 6hrs under N2 atmosphere. LCMS and TLC showed reactant 1 was consumed completely. The reaction mixture was concentrated under vacuo at 40C. The residue was purified by silica column chromatography to give product 58 (921mg, yield: 62%).

Reference： [1]Patent: WO2017/71536,2017,A1 .Location in patent: Paragraph 00040

27
[ 1066-45-1 ]
[ 298694-30-1 ]
C₇H₁₃NSSn [ No CAS ]

Reference： [1]Organic and Biomolecular Chemistry,2018,vol. 16,p. 1465 - 1479

28
[ 1461-22-9 ]
[ 298694-30-1 ]
[ 653564-10-4 ]

Yield	Reaction Conditions	Operation in experiment
		To a stirred solution of <strong>[298694-30-1]4-bromo-2-methylthiazole</strong> (200 mg, 1.12 mmol) in THF (4 mL) was added n-BuLi (0.5 mL, 1.35 mmol, in hexane) slowly at -70 C, and the reaction mixture was stirred for 1 hr at -70 C. To the resulting mixture was added a solution of n-Bu3SnCl (590 mg, 1.81 mmol) in THF (2 mL) slowly. After being stirred at -70 C for additional 1 hr, the resulting mixture was diluted with aqueous saturated HN4C1 (2 mL) solution and extracted with EA (20 mL) for three times. The combined organic phase was dried over anhydrous Na2S04, concentrated in vacuo to give crude tributyl-(2-methylthiazol-4-yl)stannane (380 mg) which was used directly in the next step.

Reference： [1]Patent: WO2018/83081,2018,A1 .Location in patent: Page/Page column 50

29
(S)-tert-butyl 3-((4-(2-((5-amino-2-methylnaphthalen-1-yl)oxy)pyridin-3-yl)pyrimidin-2-yl)amino)piperidine-1-carboxylate [ No CAS ]
[ 298694-30-1 ]
tert-butyl (S)-3-((4-(2-((2-methyl-5-((2-methylthiazol-4-yl)amino)naphthalen-1-yl)oxy)pyridin-3-yl)pyrimidin-2-yl)amino)piperidine-1-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
18.6%	With dicyclohexyl-(2?,4?,6?-triisopropyl-3,6-dimethoxy-[1,1?-biphenyl]-2-yl)phosphine; [(2-di-cyclohexylphosphino-3,6-dimethoxy-2?,4?,6?-triisopropyl-1,1?-biphenyl)-2-(2?-amino-1,1?-biphenyl)]palladium(II) methanesulfonate; sodium t-butanolate; In 1,4-dioxane; at 120℃; for 2.25h;Microwave irradiation; Inert atmosphere;	A mixture of tert-butyl (35)-3 -[[4- [2- [(5 -amino-2-methyl- 1 -naphthyl)oxy]-3 -pyridyl]pyrimidin-2-yl] amino]piperidine- 1 -carboxylate (100 mg, 0.19 mmol), <strong>[298694-30-1]4-bromo-2-methylthiazole</strong> (53.4 mg, 0.28 mmol), Brettphos Pd G3 (18.1 mg, 0.019 mmol), Brettphos(16.10 mg, 0.028 mmol), and sodium tert-butoxide (28.2 mg, 0.28 mmol) in 1,4-dioxane (1.5mL) was capped in a microwave vial, degassed with N2, and heated in a microwave reactor at120 C for 45 mm. Additional <strong>[298694-30-1]4-bromo-2-methylthiazole</strong> (53.4 mg), Brettphos Pd G3 (18 mg),Brettphos (16.0 mg), and sodium tert-butoxide (28.2 mg) were added followed by heating at120 C for 45 mm. Additional Brettphos Pd G3 (18 mg) and Brettphos (16.0 mg) were addedfollowed by additional heating at 120 C for 45 mm.105991 The mixture was diluted with iPrOAc (10 mL), filtered through Celite (JohnsManville). The crude material was purified by chromatography (silica gel chromatography),24 g column, eluting with 0-5% MeOH/DCM to afford 22mg (18.6% yield) of the titlecompound as a brown solid. LCMS (ESI) [M+H] = 624.

Reference： [1]Patent: WO2018/166528,2018,A1 .Location in patent: Paragraph 0597; 0598; 0599

30
1-methyl-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)-1H-pyrazole-5-carboxamide [ No CAS ]
[ 298694-30-1 ]
1-methyl-N-(4-(2-methylthiazol-4-yl)benzyl)-1H-pyrazole-5-carboxamide [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2018,vol. 61,p. 10875 - 10894

31
[ 19798-80-2 ]
[ 298694-30-1 ]
N-(4-chloro-2-pyridyl)-2-methylthiazol-4-amine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
31%	With tris-(dibenzylideneacetone)dipalladium(0); caesium carbonate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene; In 1,4-dioxane; at 90℃; for 16h;Inert atmosphere;	A mixture of <strong>[298694-30-1]4-bromo-2-methyl-thiazole</strong> (1.5 g, 8.52 mmol), 4-chloropyridin-2- amine (1 .3 g, 10.22 mmol) and CS2003 (6.92 g, 21 .3 mmol) in 1,4 dioxane(30 ml) was degassed with nitrogen for 20 mm. Pd2(dba)3 (0.389 g, 0.42 mmol) and Xantphos (0.24 g, 0.42 mmol) were added and the resulting mixture was stirred at 90 00 for 16 h. When cooled to rt the mixture was filtered through celite, concentrated and purified by preparative HPLC to give the product as a solid (600 mg, 31%). 1H NMR (400 MHz, DMSO-d6) 6 10.15 (s, 1 H), 8.15 (d, 1 H), 7.37 (s, 1 H), 7.03 (d, 1 H), 6.85-6.84 (m, 1 H), 2.61 (s, 3 H). MS ES+ m/z226 [M+H].

Reference： [1]Patent: WO2019/38389,2019,A1 .Location in patent: Page/Page column 56; 57

32
(4-(4-(tert-butoxycarbonyl)piperazin-1-yl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrrolo[2,3-b]pyridin-2-yl)boronic acid [ No CAS ]
[ 298694-30-1 ]
tert-butyl 4-(2-(2-methylthiazol-4-yl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrrolo[2,3-b]pyridin-4-yl)piperazine-1-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
84%	With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; triethylamine; In 1,4-dioxane; water; at 70℃; for 2h;	A mixture of <strong>[298694-30-1]4-bromo-2-methylthiazole</strong> (600 mg, 3.36 mmol), (4-(4-(ethoxycarbonyl)piperazin-1-yl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrrolo[2,3-b]pyridin-2-yl)boronic acid (1.60 g, 3.36 mmol), Pd(dppf)Cl2 (245 mg, 336 muetaiotaomicronGamma), and triethylamine (1.01 g, 10.0 mmol) in dioxane (20 mL) and H2O (5 mL) was stirred at 70C for 2 h. After that, the reaction mixture was cooled and concentrated. The residue was purified by silica gel column (petroleum ether/ethyl acetate = 2/1 ) to obtain the title compound as a yellow solid (1.5 g, 84%). MS (ES+) C26H39N503SSi requires: 529, found: 530 [M+H]+.

Reference： [1]Patent: WO2019/79649,2019,A1 .Location in patent: Paragraph 00176; 00182; 00183

33
methyl 5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate [ No CAS ]
[ 298694-30-1 ]
C₁₂H₁₂N₂O₂S [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
89.2%	With tetrakis(triphenylphosphine) palladium(0); potassium carbonate; In 1,4-dioxane; at 100℃;Inert atmosphere;	A mixture of methyl 5-methyl-4-(4,4,5,5-tetramethyl-l,3,2-dioxaborolan-2-yl)pyridine-2- carboxylate (100 mg, 0.36 mmol), 4-bromo-2-methyl-l,3-thiazole (128.5 mg, 0.72 mmol), Pd(PPh3)4 (83.4 mg, 0.07 mmol), and K2C03 (149.6 mg, 1.08 mmol) in dioxane (5 mL) was stirred at 100 C under nitrogen atmosphere overnight. The reaction mixture was concentrated 47 under reduced pressure and the residue was purified by reverse phase flash chromatography with 0-36% MeCN/fhO to afford compound 40-a (80 mg, 89.29%) as a brown oil.

Reference： [1]Patent: WO2019/213244,2019,A1 .Location in patent: Page/Page column 47-48

34
methyl 2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate [ No CAS ]
[ 298694-30-1 ]
C₁₂H₁₀FNO₂S [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
65%	With tetrakis(triphenylphosphine) palladium(0); potassium carbonate; In 1,2-dimethoxyethane; water; at 100℃;	A mixture of methyl 2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-l,3,2-dioxaborolan-2- yl)benzoate (100 mg, 0.34 mmol), 4-bromo-2-methyl-l,3-thiazole (72 mg, 0.40 mmol), Pd(PPh3)4 (30 mg, 0.03 mmol), K2CO3 (141 mg, 1.02 mmol) in ethylene glycol dimethyl ether (5 mL) and H2O (1 mL) was stirred at 100 C overnight. Solvent was removed in vacuo, and the residue was purified by Flash-Prep-HPLC with 0-80% MeCNTHO to afford 55 mg (65%) of compound 68-a as a yellow solid.

Reference： [1]Patent: WO2019/213244,2019,A1 .Location in patent: Page/Page column 60

Same Skeleton Products

Related Products

Historical Records

Related Functional Groups of
[ 298694-30-1 ]

Bromides

[ 1017781-52-0 ]

4-Bromothiazole-2-carbonitrile

Similarity: 0.88

[ 167366-05-4 ]

4-Bromo-2-formylthiazole

Similarity: 0.86

[ 90672-80-3 ]

4-Bromo-2,5-dimethylthiazole

Similarity: 0.81

[ 34259-99-9 ]

4-Bromothiazole

Similarity: 0.77

[ 1799412-37-5 ]

4-Bromo-5-(bromomethyl)-2-methylthiazole

Similarity: 0.73

Related Parent Nucleus of
[ 298694-30-1 ]

Thiazoles

[ 1017781-52-0 ]

4-Bromothiazole-2-carbonitrile

Similarity: 0.88

[ 167366-05-4 ]

4-Bromo-2-formylthiazole

Similarity: 0.86

[ 90672-80-3 ]

4-Bromo-2,5-dimethylthiazole

Similarity: 0.81

[ 34259-99-9 ]

4-Bromothiazole

Similarity: 0.77

[ 3581-87-1 ]

2-Methylthiazole

Similarity: 0.75

Ghs Precautionary Statements

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
{[ item.p_purity ]}	{[ item.pr_size ]}	{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]}	{[ getRatePrice(item.pr_usd, 1,1) ]}	Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]}	{[ item.pr_usastock ]}	Inquiry -	{[ item.pr_chinastock ]}	Inquiry -

Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 298694-30-1 ] {[proInfo.proName]}

Quality Control of [ 298694-30-1 ]

Related Doc. of [ 298694-30-1 ]

Product Details of [ 298694-30-1 ]

Calculated chemistry of [ 298694-30-1 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 298694-30-1 ]

Application In Synthesis of [ 298694-30-1 ]

[ 298694-30-1 ] Synthesis Path-Upstream 1~3

[ 298694-30-1 ] Synthesis Path-Downstream 1~34

Related Functional Groups of [ 298694-30-1 ]

Bromides

Related Parent Nucleus of [ 298694-30-1 ]

Thiazoles

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 298694-30-1 ]

Related Parent Nucleus of
[ 298694-30-1 ]